2-(1H-indol-5-yl)acetic acid
PubChem CID: 18399719
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| Compound Synonyms | 2-(1H-INDOL-5-YL)ACETIC ACID, 34298-84-5, 1H-indol-5-acetic acid, 1H-indol-5-ylacetic acid, 1H-Indole-5-acetic acid, MFCD09837609, 5-indoleacetic acid, indole-5-acetic acid, 5-carboxymethyl-indole, (1H-Indol-5-yl)acetic acid, SCHEMBL3400912, DTXSID60593382, LNDWMQWLWGXEET-UHFFFAOYSA-N, JBA29884, AKOS004122065, 2-(1H-INDOL-5-YL)ACETICACID, AS-86830, DA-06639, SY145715, CS-0055752, EN300-114962, F20651, Z1198233973, 832-178-8 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1H-indol-5-yl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNDWMQWLWGXEET-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.554 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.611 |
| Compound Name | 2-(1H-indol-5-yl)acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 175.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 175.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.257767092307692 |
| Inchi | InChI=1S/C10H9NO2/c12-10(13)6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6H2,(H,12,13) |
| Smiles | C1=CC2=C(C=CN2)C=C1CC(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients